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Eu(Ni2Sn)2

Alexandria ALEX

Alex-ID: agm078014648 · Space group: I4/mcm (#140)

Basic Information

Formula
Eu(Ni2Sn)2
Alex-ID
agm078014648
Elements
3
Sites
14
Space group
I4/mcm (#140)
Crystal system
tetragonal
Volume
238.87
ų
Cell a
6.7702
Å
Cell b
6.7702
Å
Cell c
6.7702
Å
α angle
109.67
°
β angle
109.67
°
γ angle
109.07
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Eu(Ni2Sn)2
Eu
2.00 · 14.3%
Ni
8.00 · 57.1%
Sn
4.00 · 28.6%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3523
eV/atom
Corrected total energy
-87.7636
eV
Raw total energy
-87.7636
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0045
eV
DOS at Fermi level
29.2325
Total magnetisation
13.9385
μB

Additional Information

Prototype ID

AB2C4_116_spg140

Decomposition

Eu(Ni2Sn)2

Computed at

2025-01-09 18:43:33

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078014648).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm078014648
data_agm078014648
_cell_length_a     6.77016
_cell_length_b     6.77016
_cell_length_c     6.77016
_cell_angle_alpha  109.67135
_cell_angle_beta   109.67135
_cell_angle_gamma  109.07170
_cell_volume       238.86893
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Eu1 Eu 0.25000 0.25000 0.00000 1.00000
  Eu2 Eu 0.75000 0.75000 0.00000 1.00000
  Ni1 Ni 0.02607 0.80149 0.50000 1.00000
  Ni2 Ni 0.97393 0.19851 0.50000 1.00000
  Ni3 Ni 0.80149 0.30149 0.77541 1.00000
  Ni4 Ni 0.19851 0.69851 0.22459 1.00000
  Ni5 Ni 0.30149 0.52607 0.50000 1.00000
  Ni6 Ni 0.69851 0.47393 0.50000 1.00000
  Ni7 Ni 0.52607 0.02607 0.22459 1.00000
  Ni8 Ni 0.47393 0.97393 0.77541 1.00000
  Sn1 Sn 0.34044 0.15956 0.50000 1.00000
  Sn2 Sn 0.65956 0.84044 0.50000 1.00000
  Sn3 Sn 0.15956 0.65956 0.81911 1.00000
  Sn4 Sn 0.84044 0.34044 0.18089 1.00000
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